{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.84187 2.347102 1.383115 ] [ 2.042679 1.03426 3.627522 ] [ 0.9834518 3.478775 3.226301 ] [ 4.103178 1.51668 2.106844 ] [ 3.482715 3.397853 2.716774 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.84187e-10 2.347102e-10 1.383115e-10 ] [ 2.042679e-10 1.03426e-10 3.627522e-10 ] [ 9.834518e-11 3.478775e-10 3.226301e-10 ] [ 4.103178e-10 1.51668e-10 2.106844e-10 ] [ 3.482715e-10 3.397853e-10 2.716774e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2763923 -1.4401831 -1.2652336 ] [ -0.9370909 0.5847706 -0.8822231 ] [ 0.8875962 -1.3459201 1.2837356 ] [ 0.6368158 -5.6500527 -0.9010876 ] [ -0.3109288 7.8513853 1.7648087 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.428292812291398e-10 -2.307427692491269e-09 -2.027127693770619e-09 ] [ -1.501385131544431e-09 9.369057838511886e-10 -1.413477225149701e-09 ] [ 1.422085880350921e-09 -2.156401717684798e-09 2.05677116560866e-09 ] [ 1.020291386516049e-09 -9.052382342227918e-09 -1.443701486012782e-09 ] [ -4.981628540933991e-10 1.257930596855279e-08 2.827535239324441e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.148404 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.94638888688332e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9010247 2.2716668 1.3065358 ] [ 1.8317464 0.9321366 3.3948783 ] [ 1.2983355 3.2970361 3.484997 ] [ 3.9780978 1.4544649 2.3920117 ] [ 3.4446895 3.8193655 2.4821332 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9010247e-10 2.2716668e-10 1.3065358e-10 ] [ 1.8317464e-10 9.321366e-11 3.3948783e-10 ] [ 1.2983355e-10 3.2970361e-10 3.484997e-10 ] [ 3.9780978e-10 1.4544649e-10 2.3920117e-10 ] [ 3.4446895e-10 3.8193655e-10 2.4821332e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.06e-05 -1e-05 -7.6e-06 ] [ -5.4e-06 4.5e-06 -1.6e-06 ] [ 8.2e-06 -3.7e-06 0.0 ] [ 2.6e-06 9.9e-06 2.2e-06 ] [ 5.2e-06 -6e-07 7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.698307218048e-14 -1.6021766208e-14 -1.217654231808e-14 ] [ -8.65175375232e-15 7.2097947936e-15 -2.56348259328e-15 ] [ 1.313784829056e-14 -5.928053496960001e-15 0.0 ] [ 4.16565921408e-15 1.586154854592e-14 3.52478856576e-15 ] [ 8.33131842816e-15 -9.6130597248e-16 1.12152363456e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.867937 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.221888444012729e-18 } }